4-[2-[4-(1-acetyloxypropoxy)-3-(1-adamantyl)phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[4-(1-acetyloxypropoxy)-3-(1-adamantyl)phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(1-acetoxypropoxy)-3-(1-adamantyl)phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[4-(1-acetyloxypropoxy)-3-(1-adamantyl)phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-(1-acetyloxypropoxy)-3-(1-adamantyl)phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-(1-acetoxypropoxy)-3-(1-adamantyl)phenyl]ethynyl]benzoic acid Formula: C30H32O5 MolecularWeight: 472.57208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4)OC(=O)C

Isomeric SMILES

CCC(OC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4)OC(=O)C

InChI

InChI=1S/C30H32O5/c1-3-28(34-19(2)31)35-27-11-8-21(5-4-20-6-9-25(10-7-20)29(32)33)15-26(27)30-16-22-12-23(17-30)14-24(13-22)18-30/h6-11,15,22-24,28H,3,12-14,16-18H2,1-2H3,(H,32,33)